SCHEMBL27631985

SCHEMBL27631985

Cn1nnnc1COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
IDO1 P14902 1/20 0.49
CYP19A1 P11511 3/20 0.47
SYK P43405 1/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PTGS2 P35354 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23537838 0.80 LMNA (0.53) ALDH1A1KMT2AKDM4ELMNAMAPT
SCHEMBL7823769 0.78 POLB (0.49) ALDH1A1KMT2ALMNACYP19A1MAPT
SCHEMBL24455248 0.77 PKM (0.64) ALDH1A1KMT2ALMNASYKMAOB
SCHEMBL19288490 0.77 SYK (0.50) ALDH1A1KMT2AKDM4ELMNASYK
SCHEMBL5654058 0.75 CYP1A2 (0.45) ALDH1A1KMT2AKDM4ELMNAIDO1
SCHEMBL11755910 0.75 LMNA (0.58) ALDH1A1KMT2AGAAKDM4ELMNA
SCHEMBL10967641 0.74 BCL9 (0.44) ALDH1A1KMT2AGAAKDM4ELMNA
SCHEMBL3097893 0.71 FFAR1 (0.51) ALDH1A1KMT2AGAALMNAIDO1
SCHEMBL7348258 0.71 LMNA (0.58) LMNAMAOBMAPTCA12CA1
SCHEMBL11756075 0.70 LMNA (0.51) ALDH1A1KMT2AGAAKDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed